(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-morpholino-3-nitro-phenyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(4-morpholino-3-nitro-phenyl)methanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-15-8-9-23(18-4-2-3-5-20(18)29-15)21(25)16-6-7-17(19(14-16)24(26)27)22-10-12-28-13-11-22/h2-7,14-15H,8-13H2,1H3